4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one

C14H25N3O — CID 114039691

IUPAC4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one
SMILESCN(CCNC(C)(C)C)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C14H25N3O/c1-14(2,3)15-7-9-16(4)11-12-6-8-17(5)13(18)10-12/h6,8,10,15H,7,9,11H2,1-5H3
InChIKeyZMLZPCHMNALHDN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.21
Rot. Bonds5

About 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one

4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one (PubChem CID 114039691) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one
PubChem CID114039691
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one
SMILESCN(CCNC(C)(C)C)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C14H25N3O/c1-14(2,3)15-7-9-16(4)11-12-6-8-17(5)13(18)10-12/h6,8,10,15H,7,9,11H2,1-5H3
InChIKeyZMLZPCHMNALHDN-UHFFFAOYSA-N
XLogP1.21
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-N-methylmyosmine
CID 52944012
6-hydroxy-N-methylmyosmine(1+)
CID 91820593
N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-3-yl]acetamide
CID 118741506
1-(2-Aminoethyl)-4-methyl-1,2-dihydropyridin-2-one dihydrochloride
CID 165651195
1-Methyl-5-(4-methylamino-1-butenyl)-2(1h)-pyridone
CID 129878592
4-Methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
CID 62986788
1-[2-(Tert-butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279787
1-[2-(2-Methylbutan-2-ylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280089
4-[(2,2-Difluoroethylamino)methyl]-1-methylpyridin-2-one
CID 108104931
5-(diethylaminomethyl)-1H-pyridin-2-one
CID 9812925
4-[(Dimethylamino)methyl]pyridin-2(1H)-one
CID 13463821
3-(dimethylamino)-4-methyl-1H-pyridin-2-one
CID 13463823

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one (CID 114039691) is 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one is CN(CCNC(C)(C)C)Cc1ccn(C)c(=O)c1.
What is the InChIKey of 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one?
The InChIKey is ZMLZPCHMNALHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)15-7-9-16(4)11-12-6-8-17(5)13(18)10-12/h6,8,10,15H,7,9,11H2,1-5H3.
What are the key properties of 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one?
4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 114039691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).